2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide

C16H16ClFN2O — CID 60536225

IUPAC2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-2-20(13-6-4-3-5-7-13)16(21)11-19-12-8-9-14(17)15(18)10-12/h3-10,19H,2,11H2,1H3
InChIKeyLGYMYAVHGZXVHR-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide

2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide (PubChem CID 60536225) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
PubChem CID60536225
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-2-20(13-6-4-3-5-7-13)16(21)11-19-12-8-9-14(17)15(18)10-12/h3-10,19H,2,11H2,1H3
InChIKeyLGYMYAVHGZXVHR-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37257112
N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844732
3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 112996883
5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 47077810
N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54844457
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036498
2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide
CID 54829924
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
CID 37218709
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide (CID 60536225) is 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide is CCN(C(=O)CNc1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is LGYMYAVHGZXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-2-20(13-6-4-3-5-7-13)16(21)11-19-12-8-9-14(17)15(18)10-12/h3-10,19H,2,11H2,1H3.
What are the key properties of 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide?
2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 306.77 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluoroanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 60536225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).